CCL: MOPAC/PM6 and MD



 Sent to CCL by: allouche [allouche,,lasim.univ-lyon1.fr]
 Stephen.Garrison_._srnl.doe.gov a écrit :
 
 
Are there any molecular dynamics codes that interface with MOPAC (2007 or 2009) to do MD simulations using the PM6 method?
 The developpement version (2.1.13) of Gabedit can do this.
 You can download this version from :
 http://sites.google.com/site/allouchear/Home/gabedit/download
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 Abdul-Rahman ALLOUCHE
 Fax : + (33) (0) 472431507
 Email : allouche(a)lasim.univ-lyon1.fr
 Web : http://sites.google.com/site/allouchear/